5222-5068 Screening compound: 7-(2-chlorophenyl)-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxamide

5222-5068 Screening compound: 7-(2-chlorophenyl)-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxamide
5222-5068 Screening compound: 7-(2-chlorophenyl)-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5222-5068
7-(2-chlorophenyl)-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

5222-5068

Molecular Formula

C12H11ClN6O (C12 H11 ClN6 O)

Compound Name

7-(2-chlorophenyl)-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxamide

IUPAC name

7-(2-chlorophenyl)-5-methyl-4H7H-[1234]tetrazolo[15-a]pyrimidine-6-carboxamide

SMILES

CC(Nc1nnnn1C1c(cccc2)c2Cl)=C1C(N)=O

InChI

InChI=1S/C12H11ClN6O/c1-6-9(11(14)20)10(7-4-2-3-5-8(7)13)19-12(15-6)16-17-18-19/h2-5,10H,1H3,(H2,14,20)(H,15,16,18)/t10-/m0/s1

InChI Key

IXAIDHXZAWDPNE-JTQLQIEISA-N

MDL Number (MFCD)

MFCD03543537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.71

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.131

Distribution Coefficient, logD

1.099

Water Solubility, LogSw

-2.35

Polar Surface Area

86.526

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

-1.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

5222-5068 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 5222-5068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5222-5068?
Check Price and Availability of 5222-5068, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5222-5068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5222-5068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5222-5068
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 5222-5068 available by request